[AMBER] Generating library from cif file.

From: sriram raghavan <hypowergravity.gmail.com>
Date: Mon, 8 Mar 2021 20:54:10 +0530

Dear Amber users
I am trying to generate a residue library for a molecule called tomatine
(mol2 file attached), I tried creating a "cif" restraint file using
crystallographic tools (Jligand and phenix.elbow).
I could generate a cif file but I am not able to process it with
antechamber program, it is unable to read the generated cif file.
Initially, I am getting the error "Target data block (TM3) is not in
file.", even if i modify the data_block, modify and reprocess I am getting
the following error "Target category (atom_site) is not in data block (0)."
Kingly please help me identify if it can be resolved, Thank you
With Regards


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Received on Mon Mar 08 2021 - 07:30:03 PST
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